Geometry & MOs

Info

ID:	321453
PubChem CID:	126666068
Reduced:	BrClO2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	13.66
Dipole, Da:	2.34
IP(EA), eV:	-9.63(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-7-(2,5-dimethoxyphenyl)-3-ethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2Br)[C@H](C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations